2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid

C10H17N3O4 — CID 54945067

IUPAC2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)NC(=O)C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-10(17)11-2)13(5-8(14)15)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16,17)
InChIKeyKNHGACASIMAAFC-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds5

About 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 54945067) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID54945067
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)NC(=O)C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-10(17)11-2)13(5-8(14)15)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16,17)
InChIKeyKNHGACASIMAAFC-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
2-(4-methyl-N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60840590
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[(1,1-dioxothiolan-3-yl)-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 60839549
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid
CID 59945897
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120588
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 54945067) is 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid is CNC(=O)NC(=O)C(C)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is KNHGACASIMAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(9(16)12-10(17)11-2)13(5-8(14)15)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16,17).
What are the key properties of 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54945067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).