(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid

C10H19N3O4 — CID 78973916

IUPAC(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
SMILESCC(C)NC(=O)CN(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)11-8(14)5-13(4)10(17)12-7(3)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1
InChIKeySESYSPYULUFMAB-SSDOTTSWSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds5

About (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid

(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid (PubChem CID 78973916) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
PubChem CID78973916
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
SMILESCC(C)NC(=O)CN(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)11-8(14)5-13(4)10(17)12-7(3)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1
InChIKeySESYSPYULUFMAB-SSDOTTSWSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 115731225
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid (CID 78973916) is (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid is CC(C)NC(=O)CN(C)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid?
The InChIKey is SESYSPYULUFMAB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(2)11-8(14)5-13(4)10(17)12-7(3)9(15)16/h6-7H,5H2,1-4H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid?
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78973916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).