(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid

C9H18N2O3 — CID 61196762

IUPAC(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCN(C(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C9H18N2O3/c1-5-11(6(2)3)9(14)10-7(4)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyIVVCPVPWBQHLQT-ZETCQYMHSA-N
MW202.25 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid

(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 61196762) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID61196762
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCN(C(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C9H18N2O3/c1-5-11(6(2)3)9(14)10-7(4)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyIVVCPVPWBQHLQT-ZETCQYMHSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
3-tert-butyl-1-ethyl-1-propan-2-ylurea
CID 115585495
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid (CID 61196762) is (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid is CCN(C(=O)N[C@@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is IVVCPVPWBQHLQT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-11(6(2)3)9(14)10-7(4)8(12)13/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61196762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).