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

C7H14N2O3 — CID 61194675

IUPAC(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCCN(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4-9(3)7(12)8-5(2)6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)/t5-/m0/s1
InChIKeyGTSHJPULPZJOOM-YFKPBYRVSA-N
MW174.20 g/mol
LogP0.12
Rot. Bonds3

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

(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 61194675) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID61194675
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCCN(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4-9(3)7(12)8-5(2)6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)/t5-/m0/s1
InChIKeyGTSHJPULPZJOOM-YFKPBYRVSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
CID 79159484
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid (CID 61194675) is (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid is CCN(C)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is GTSHJPULPZJOOM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-9(3)7(12)8-5(2)6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid?
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).