2-(propan-2-ylcarbamoylamino)acetic acid

C6H12N2O3 — CID 541553

IUPAC2-(propan-2-ylcarbamoylamino)acetic acid
SMILESCC(C)NC(=O)NCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(2)8-6(11)7-3-5(9)10/h4H,3H2,1-2H3,(H,9,10)(H2,7,8,11)
InChIKeyJZQUNHVVWROPDZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.22
Rot. Bonds3

About 2-(propan-2-ylcarbamoylamino)acetic acid

2-(propan-2-ylcarbamoylamino)acetic acid (PubChem CID 541553) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoylamino)acetic acid
PubChem CID541553
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(propan-2-ylcarbamoylamino)acetic acid
SMILESCC(C)NC(=O)NCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(2)8-6(11)7-3-5(9)10/h4H,3H2,1-2H3,(H,9,10)(H2,7,8,11)
InChIKeyJZQUNHVVWROPDZ-UHFFFAOYSA-N
XLogP-0.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Carbamoylamino)propanoic acid
CID 426409
(2S)-2-(carbamoylamino)propanoic acid
CID 1535936
2-(carbamoylamino)butanoic Acid
CID 4095663
N-Carbamoyl-Alanine
CID 1535935
N-(Methylcarbamoyl)glycine
CID 16786632
Glycine, N-((butylamino)carbonyl)-
CID 112991
N-carbamoyl-L-alaninate
CID 6988658
2,11-Dimethyl-4,9-dioxo-3,5,8,10-tetraazadodecane-1,12-dioic acid
CID 3774706
Methyl 2-(3-isopropylureido)acetate
CID 43409327
2-(Fluorocarbamoylamino)propanoic acid
CID 71437040
2-[(Cyclopropylcarbamoyl)amino]acetic acid
CID 16786594
Carbonyl-bisglycin
CID 14332787

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(propan-2-ylcarbamoylamino)acetic acid (CID 541553) is 2-(propan-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(propan-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(propan-2-ylcarbamoylamino)acetic acid is CC(C)NC(=O)NCC(=O)O.
What is the InChIKey of 2-(propan-2-ylcarbamoylamino)acetic acid?
The InChIKey is JZQUNHVVWROPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(2)8-6(11)7-3-5(9)10/h4H,3H2,1-2H3,(H,9,10)(H2,7,8,11).
What are the key properties of 2-(propan-2-ylcarbamoylamino)acetic acid?
2-(propan-2-ylcarbamoylamino)acetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 541553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).