3-(3-azidopropylamino)-2-(methylamino)propanoic acid

C7H15N5O2 — CID 174215781

IUPAC3-(3-azidopropylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H15N5O2/c1-9-6(7(13)14)5-10-3-2-4-11-12-8/h6,9-10H,2-5H2,1H3,(H,13,14)
InChIKeyPFVAMAFXBCBEKM-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.05
Rot. Bonds8

About 3-(3-azidopropylamino)-2-(methylamino)propanoic acid

3-(3-azidopropylamino)-2-(methylamino)propanoic acid (PubChem CID 174215781) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(3-azidopropylamino)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-azidopropylamino)-2-(methylamino)propanoic acid
PubChem CID174215781
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name3-(3-azidopropylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H15N5O2/c1-9-6(7(13)14)5-10-3-2-4-11-12-8/h6,9-10H,2-5H2,1H3,(H,13,14)
InChIKeyPFVAMAFXBCBEKM-UHFFFAOYSA-N
XLogP-0.05
TPSA110.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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

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CID 104711302
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
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CID 66191397
2-(2-azidoethylamino)octanoic acid
CID 66190006
3-azido-N-methylpropan-1-amine;hydrochloride
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(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
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(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789
6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]hexadecylamino]-2-[[(2S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]hexadecyl]amino]hexanoic acid
CID 91389023
(2R)-3-azido-2-methylpropanoic acid
CID 13116883

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidopropylamino)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(3-azidopropylamino)-2-(methylamino)propanoic acid (CID 174215781) is 3-(3-azidopropylamino)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(3-azidopropylamino)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(3-azidopropylamino)-2-(methylamino)propanoic acid is CNC(CNCCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 3-(3-azidopropylamino)-2-(methylamino)propanoic acid?
The InChIKey is PFVAMAFXBCBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-9-6(7(13)14)5-10-3-2-4-11-12-8/h6,9-10H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(3-azidopropylamino)-2-(methylamino)propanoic acid?
3-(3-azidopropylamino)-2-(methylamino)propanoic acid has a molecular weight of 201.23 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidopropylamino)-2-(methylamino)propanoic acid is sourced from PubChem (CID 174215781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).