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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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).