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

C20H22N2O4 — CID 7019764

IUPAC(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESN[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-18(19(23)24)10-5-11-22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyUZQSWMYLYLRAMJ-SFHVURJKSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds7

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

(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (PubChem CID 7019764) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
PubChem CID7019764
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESN[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-18(19(23)24)10-5-11-22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyUZQSWMYLYLRAMJ-SFHVURJKSA-N
XLogP2.72
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
CID 155761964
(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
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
prop-2-enyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 25034093
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75409974
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (CID 7019764) is (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The InChIKey is UZQSWMYLYLRAMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-18(19(23)24)10-5-11-22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12,21H2,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 7019764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).