3-aminopropylcarbamic acid

C4H10N2O2 — CID 3023499

IUPAC3-aminopropylcarbamic acid
SMILESNCCCNC(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3-6-4(7)8/h6H,1-3,5H2,(H,7,8)
InChIKeyJLZOGLJEROCEQF-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.40
Rot. Bonds3

About 3-aminopropylcarbamic acid

3-aminopropylcarbamic acid (PubChem CID 3023499) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 3-aminopropylcarbamic acid.

Molecular Properties

Compound Name3-aminopropylcarbamic acid
PubChem CID3023499
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name3-aminopropylcarbamic acid
SMILESNCCCNC(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3-6-4(7)8/h6H,1-3,5H2,(H,7,8)
InChIKeyJLZOGLJEROCEQF-UHFFFAOYSA-N
XLogP-0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
3-hydrazinylpropylcarbamic acid
CID 118306542
6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)
CID 173415166
5-aminopentylcarbamic acid;N-methylhexan-1-amine;hydrate
CID 159293872
butylcarbamic acid
CID 3026651
N-(3-aminopropyl)propanamide
CID 21290277
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
5-(carbamothioylamino)pentylcarbamic acid
CID 23442541
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874

Frequently Asked Questions

What is the IUPAC name of 3-aminopropylcarbamic acid?
The IUPAC name of 3-aminopropylcarbamic acid (CID 3023499) is 3-aminopropylcarbamic acid.
What is the SMILES notation for 3-aminopropylcarbamic acid?
The canonical SMILES for 3-aminopropylcarbamic acid is NCCCNC(=O)O.
What is the InChIKey of 3-aminopropylcarbamic acid?
The InChIKey is JLZOGLJEROCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c5-2-1-3-6-4(7)8/h6H,1-3,5H2,(H,7,8).
What are the key properties of 3-aminopropylcarbamic acid?
3-aminopropylcarbamic acid has a molecular weight of 118.14 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropylcarbamic acid is sourced from PubChem (CID 3023499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).