(1-amino-1-methoxypropan-2-yl)carbamic acid

C5H12N2O3 — CID 87325359

IUPAC(1-amino-1-methoxypropan-2-yl)carbamic acid
SMILESCOC(N)C(C)NC(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(4(6)10-2)7-5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9)
InChIKeyQOPBEJAFQLDMJO-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.43
Rot. Bonds3

About (1-amino-1-methoxypropan-2-yl)carbamic acid

(1-amino-1-methoxypropan-2-yl)carbamic acid (PubChem CID 87325359) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1-amino-1-methoxypropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-amino-1-methoxypropan-2-yl)carbamic acid
PubChem CID87325359
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(1-amino-1-methoxypropan-2-yl)carbamic acid
SMILESCOC(N)C(C)NC(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(4(6)10-2)7-5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9)
InChIKeyQOPBEJAFQLDMJO-UHFFFAOYSA-N
XLogP-0.43
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
CID 87267529
1-aminooxyethylcarbamic acid
CID 87523079
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
methyl 2-aminopropanoate
CID 159707893
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
[(1S)-1-amino-3,3-dimethyl-1-phenylbutan-2-yl]carbamic acid
CID 69021650
1-methoxyethanamine;2-oxopropanoic acid
CID 174574648
[(1S,2S)-1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 87601818
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid
CID 138610846
[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
CID 137464280
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312416

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-methoxypropan-2-yl)carbamic acid?
The IUPAC name of (1-amino-1-methoxypropan-2-yl)carbamic acid (CID 87325359) is (1-amino-1-methoxypropan-2-yl)carbamic acid.
What is the SMILES notation for (1-amino-1-methoxypropan-2-yl)carbamic acid?
The canonical SMILES for (1-amino-1-methoxypropan-2-yl)carbamic acid is COC(N)C(C)NC(=O)O.
What is the InChIKey of (1-amino-1-methoxypropan-2-yl)carbamic acid?
The InChIKey is QOPBEJAFQLDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3(4(6)10-2)7-5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9).
What are the key properties of (1-amino-1-methoxypropan-2-yl)carbamic acid?
(1-amino-1-methoxypropan-2-yl)carbamic acid has a molecular weight of 148.16 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-methoxypropan-2-yl)carbamic acid is sourced from PubChem (CID 87325359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).