2-[2-(propan-2-ylamino)propanoylamino]propanoic acid

C9H18N2O3 — CID 178159250

IUPAC2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
SMILESCC(C)NC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(2)10-6(3)8(12)11-7(4)9(13)14/h5-7,10H,1-4H3,(H,11,12)(H,13,14)
InChIKeyUELSZWYJUOUVJB-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.04
Rot. Bonds5

About 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid

2-[2-(propan-2-ylamino)propanoylamino]propanoic acid (PubChem CID 178159250) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
PubChem CID178159250
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
SMILESCC(C)NC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(2)10-6(3)8(12)11-7(4)9(13)14/h5-7,10H,1-4H3,(H,11,12)(H,13,14)
InChIKeyUELSZWYJUOUVJB-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5488264
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CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
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(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen
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4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
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(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid (CID 178159250) is 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid is CC(C)NC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid?
The InChIKey is UELSZWYJUOUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(2)10-6(3)8(12)11-7(4)9(13)14/h5-7,10H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid?
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 178159250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).