(3-amino-1-cyanopropyl)carbamic acid

C5H9N3O2 — CID 174839011

IUPAC(3-amino-1-cyanopropyl)carbamic acid
SMILESN#CC(CCN)NC(=O)O
InChIInChI=1S/C5H9N3O2/c6-2-1-4(3-7)8-5(9)10/h4,8H,1-2,6H2,(H,9,10)
InChIKeyKRAXYFXWTUCCMI-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.51
Rot. Bonds3

About (3-amino-1-cyanopropyl)carbamic acid

(3-amino-1-cyanopropyl)carbamic acid (PubChem CID 174839011) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (3-amino-1-cyanopropyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-1-cyanopropyl)carbamic acid
PubChem CID174839011
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(3-amino-1-cyanopropyl)carbamic acid
SMILESN#CC(CCN)NC(=O)O
InChIInChI=1S/C5H9N3O2/c6-2-1-4(3-7)8-5(9)10/h4,8H,1-2,6H2,(H,9,10)
InChIKeyKRAXYFXWTUCCMI-UHFFFAOYSA-N
XLogP-0.51
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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azane;3,5-diaminopentanoic acid;iron;hydrate
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N-(1-cyanobutyl)-2,2-dimethylpropanamide
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[(1R,2S)-1-cyano-1-hydroxyhexan-2-yl]carbamic acid
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[(1S)-1-cyano-2-[(2S)-6,7-difluoro-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]carbamic acid
CID 170165916
[(2S)-1-cyano-1-hydroxypropan-2-yl]carbamic acid
CID 87508352
[(2S)-6-amino-1-[(2S)-6-amino-2-(carboxyamino)hexanoyl]oxy-1-oxohexan-2-yl]carbamic acid
CID 57143995
phenyl N-(1-cyanobutyl)carbamate
CID 61122017
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
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[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-cyanopropyl)carbamic acid?
The IUPAC name of (3-amino-1-cyanopropyl)carbamic acid (CID 174839011) is (3-amino-1-cyanopropyl)carbamic acid.
What is the SMILES notation for (3-amino-1-cyanopropyl)carbamic acid?
The canonical SMILES for (3-amino-1-cyanopropyl)carbamic acid is N#CC(CCN)NC(=O)O.
What is the InChIKey of (3-amino-1-cyanopropyl)carbamic acid?
The InChIKey is KRAXYFXWTUCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-2-1-4(3-7)8-5(9)10/h4,8H,1-2,6H2,(H,9,10).
What are the key properties of (3-amino-1-cyanopropyl)carbamic acid?
(3-amino-1-cyanopropyl)carbamic acid has a molecular weight of 143.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-cyanopropyl)carbamic acid is sourced from PubChem (CID 174839011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).