(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid

C9H17N5O4 — CID 156538701

IUPAC(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
SMILES[N-]=[N+]=NCCOC(=O)N[C@H](CCCCN)C(=O)O
InChIInChI=1S/C9H17N5O4/c10-4-2-1-3-7(8(15)16)13-9(17)18-6-5-12-14-11/h7H,1-6,10H2,(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyYFKPJUHXCHQTCQ-SSDOTTSWSA-N
MW259.27 g/mol
LogP0.61
Rot. Bonds9

About (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid

(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid (PubChem CID 156538701) has the molecular formula C9H17N5O4 and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
PubChem CID156538701
Molecular FormulaC9H17N5O4
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
SMILES[N-]=[N+]=NCCOC(=O)N[C@H](CCCCN)C(=O)O
InChIInChI=1S/C9H17N5O4/c10-4-2-1-3-7(8(15)16)13-9(17)18-6-5-12-14-11/h7H,1-6,10H2,(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyYFKPJUHXCHQTCQ-SSDOTTSWSA-N
XLogP0.61
TPSA150.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
(2S)-6-amino-2-[(4-azidophenoxy)carbonylamino]hexanoic acid
CID 175456297
6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid
CID 89081480
6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid
CID 135315251
5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid
CID 134444367
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 25146063
2-azidoethyl N-[(5S)-5-acetamido-6-oxoheptyl]carbamate
CID 167653306
6-amino-2-[(6-methyl-5-nonyltetradecoxy)carbonylamino]hexanoic acid
CID 175393915
2-(butoxycarbonylamino)octanoic acid
CID 87548518

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid?
The IUPAC name of (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid (CID 156538701) is (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid is [N-]=[N+]=NCCOC(=O)N[C@H](CCCCN)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid?
The InChIKey is YFKPJUHXCHQTCQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N5O4/c10-4-2-1-3-7(8(15)16)13-9(17)18-6-5-12-14-11/h7H,1-6,10H2,(H,13,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid?
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid has a molecular weight of 259.27 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 156538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).