2-[amino(propan-2-yl)amino]acetic acid

C5H12N2O2 — CID 10887948

IUPAC2-[amino(propan-2-yl)amino]acetic acid
SMILESCC(C)N(N)CC(=O)O
InChIInChI=1S/C5H12N2O2/c1-4(2)7(6)3-5(8)9/h4H,3,6H2,1-2H3,(H,8,9)
InChIKeyLJCHCOXTQQFPEV-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.34
Rot. Bonds3

About 2-[amino(propan-2-yl)amino]acetic acid

2-[amino(propan-2-yl)amino]acetic acid (PubChem CID 10887948) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]acetic acid
PubChem CID10887948
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-[amino(propan-2-yl)amino]acetic acid
SMILESCC(C)N(N)CC(=O)O
InChIInChI=1S/C5H12N2O2/c1-4(2)7(6)3-5(8)9/h4H,3,6H2,1-2H3,(H,8,9)
InChIKeyLJCHCOXTQQFPEV-UHFFFAOYSA-N
XLogP-0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;2-(dimethylamino)acetic acid
CID 172828475
2-[3-[bis(carboxymethyl)amino]butan-2-yl-(carboxymethyl)amino]acetic acid;butane-2,3-diamine
CID 23020639
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[carboxymethyl-(2-methylpropanoylamino)amino]acetic acid
CID 22373803
2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 87096245
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[3-aminobutanoyl(methyl)amino]acetic acid
CID 61159500

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[amino(propan-2-yl)amino]acetic acid (CID 10887948) is 2-[amino(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[amino(propan-2-yl)amino]acetic acid is CC(C)N(N)CC(=O)O.
What is the InChIKey of 2-[amino(propan-2-yl)amino]acetic acid?
The InChIKey is LJCHCOXTQQFPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(2)7(6)3-5(8)9/h4H,3,6H2,1-2H3,(H,8,9).
What are the key properties of 2-[amino(propan-2-yl)amino]acetic acid?
2-[amino(propan-2-yl)amino]acetic acid has a molecular weight of 132.16 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 10887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).