2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid

C11H22N2O3 — CID 61162403

IUPAC2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
SMILESCC(C)NCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)12-6-5-10(14)13(9(3)4)7-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyMESVNEHQMUWSAJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds7

About 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid

2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid (PubChem CID 61162403) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
PubChem CID61162403
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
SMILESCC(C)NCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)12-6-5-10(14)13(9(3)4)7-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyMESVNEHQMUWSAJ-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]-propan-2-ylamino]acetic acid
CID 119198365
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
CID 87488169
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
CID 61160293
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 60854332
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid (CID 61162403) is 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid is CC(C)NCCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid?
The InChIKey is MESVNEHQMUWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)12-6-5-10(14)13(9(3)4)7-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid?
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 61162403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).