2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid

C8H16N2O3 — CID 43466197

IUPAC2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
SMILESCC(C)NC(=O)C(C)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)10-8(13)6(3)9-4-7(11)12/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJTGRBHDXQNXWJI-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.43
Rot. Bonds5

About 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid

2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid (PubChem CID 43466197) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
PubChem CID43466197
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
SMILESCC(C)NC(=O)C(C)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)10-8(13)6(3)9-4-7(11)12/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJTGRBHDXQNXWJI-UHFFFAOYSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
2-(carboxymethylamino)propanoic acid
CID 2764308
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
2-ethyl-4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]but-2-enoic acid
CID 103262485

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid (CID 43466197) is 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid is CC(C)NC(=O)C(C)NCC(=O)O.
What is the InChIKey of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid?
The InChIKey is JTGRBHDXQNXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)10-8(13)6(3)9-4-7(11)12/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid?
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 43466197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).