(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

C20H20N4O4 — CID 75409974

IUPAC(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILES[N-]=[N+]=N[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H20N4O4/c21-24-23-18(19(25)26)10-5-11-22-20(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,27)(H,25,26)/t18-/m1/s1
InChIKeyQRVOUGLKGXMFRG-GOSISDBHSA-N
MW380.40 g/mol
LogP4.07
Rot. Bonds8

About (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (PubChem CID 75409974) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
PubChem CID75409974
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILES[N-]=[N+]=N[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H20N4O4/c21-24-23-18(19(25)26)10-5-11-22-20(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,27)(H,25,26)/t18-/m1/s1
InChIKeyQRVOUGLKGXMFRG-GOSISDBHSA-N
XLogP4.07
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
methyl (2S)-2-[[(2S)-2-azido-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoate
CID 154721027
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate
CID 161115068
9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate
CID 86042560
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
CID 155761964
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (CID 75409974) is (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is [N-]=[N+]=N[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The InChIKey is QRVOUGLKGXMFRG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O4/c21-24-23-18(19(25)26)10-5-11-22-20(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,27)(H,25,26)/t18-/m1/s1.
What are the key properties of (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid has a molecular weight of 380.40 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 75409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).