(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid

C21H24N4O4 — CID 40555331

IUPAC(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N4O4/c22-18(19(26)27)10-5-11-24-20(23)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,22H2,(H,26,27)(H3,23,24,25,28)/t18-/m0/s1
InChIKeyNYWSVZSNETUWFO-SFHVURJKSA-N
MW396.45 g/mol
LogP2.03
Rot. Bonds7

About (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid

(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid (PubChem CID 40555331) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
PubChem CID40555331
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N4O4/c22-18(19(26)27)10-5-11-24-20(23)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,22H2,(H,26,27)(H3,23,24,25,28)/t18-/m0/s1
InChIKeyNYWSVZSNETUWFO-SFHVURJKSA-N
XLogP2.03
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
(2R)-6-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
CID 122173526
(2R)-5-[[amino(dimethylamino)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 71433908
5-[[amino-[(4-methylphenyl)sulfanylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 144582079
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
(2S)-2-amino-5-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]pentanoic acid
CID 166132102
(2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid
CID 11080721
(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
CID 95171223
(2S)-2-amino-5-[(4S)-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoyl]oxy-5-oxopentanoic acid
CID 175127684
(2R)-2-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2,4-diaminobutanoic acid;methyl (2R)-2-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 157351226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid (CID 40555331) is (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid is N/C(=N\CCC[C@H](N)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid?
The InChIKey is NYWSVZSNETUWFO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O4/c22-18(19(26)27)10-5-11-24-20(23)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,22H2,(H,26,27)(H3,23,24,25,28)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid has a molecular weight of 396.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid is sourced from PubChem (CID 40555331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).