2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid

C10H19N3O4 — CID 103995654

IUPAC2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid
SMILESCC(C)NC(=O)CCNC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)12-8(14)4-5-11-10(17)13(3)6-9(15)16/h7H,4-6H2,1-3H3,(H,11,17)(H,12,14)(H,15,16)
InChIKeyYGMKVIJRWQQDDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds6

About 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid

2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid (PubChem CID 103995654) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid
PubChem CID103995654
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid
SMILESCC(C)NC(=O)CCNC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)12-8(14)4-5-11-10(17)13(3)6-9(15)16/h7H,4-6H2,1-3H3,(H,11,17)(H,12,14)(H,15,16)
InChIKeyYGMKVIJRWQQDDI-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
2-[ethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626788
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid (CID 103995654) is 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid is CC(C)NC(=O)CCNC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid?
The InChIKey is YGMKVIJRWQQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)12-8(14)4-5-11-10(17)13(3)6-9(15)16/h7H,4-6H2,1-3H3,(H,11,17)(H,12,14)(H,15,16).
What are the key properties of 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid?
2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 103995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).