1-aminopropan-2-yl(prop-2-enyl)carbamic acid

C7H14N2O2 — CID 122620115

IUPAC1-aminopropan-2-yl(prop-2-enyl)carbamic acid
SMILESC=CCN(C(=O)O)C(C)CN
InChIInChI=1S/C7H14N2O2/c1-3-4-9(7(10)11)6(2)5-8/h3,6H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyHLVQSXBGDPMAHZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.50
Rot. Bonds4

About 1-aminopropan-2-yl(prop-2-enyl)carbamic acid

1-aminopropan-2-yl(prop-2-enyl)carbamic acid (PubChem CID 122620115) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-aminopropan-2-yl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name1-aminopropan-2-yl(prop-2-enyl)carbamic acid
PubChem CID122620115
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-aminopropan-2-yl(prop-2-enyl)carbamic acid
SMILESC=CCN(C(=O)O)C(C)CN
InChIInChI=1S/C7H14N2O2/c1-3-4-9(7(10)11)6(2)5-8/h3,6H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyHLVQSXBGDPMAHZ-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-aminopropan-2-yl(ethyl)carbamic acid
CID 134540126
[(2S)-1-amino-1-oxobutan-2-yl]-prop-2-enylcarbamic acid
CID 87757841
[[carboxy(prop-2-enyl)amino]-methylsulfanylmethyl]-prop-2-enylcarbamic acid
CID 155023973
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(2S)-2-[2-methylpropanoyl(prop-2-enyl)amino]propanoic acid
CID 58153238
4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 81070887
propan-2-yl 2-[acetyl(prop-2-enyl)amino]butanoate
CID 84572941
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[bis(prop-2-enyl)amino]propanamide
CID 82040435

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl(prop-2-enyl)carbamic acid?
The IUPAC name of 1-aminopropan-2-yl(prop-2-enyl)carbamic acid (CID 122620115) is 1-aminopropan-2-yl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 1-aminopropan-2-yl(prop-2-enyl)carbamic acid?
The canonical SMILES for 1-aminopropan-2-yl(prop-2-enyl)carbamic acid is C=CCN(C(=O)O)C(C)CN.
What is the InChIKey of 1-aminopropan-2-yl(prop-2-enyl)carbamic acid?
The InChIKey is HLVQSXBGDPMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-9(7(10)11)6(2)5-8/h3,6H,1,4-5,8H2,2H3,(H,10,11).
What are the key properties of 1-aminopropan-2-yl(prop-2-enyl)carbamic acid?
1-aminopropan-2-yl(prop-2-enyl)carbamic acid has a molecular weight of 158.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 122620115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).