2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid

C10H17N3O4 — CID 79400880

IUPAC2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-13(6-9(15)16)10(17)11-5-4-8(14)12-7-2-3-7/h7H,2-6H2,1H3,(H,11,17)(H,12,14)(H,15,16)
InChIKeyNDPJRCCCBOWLOY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds6

About 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid

2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid (PubChem CID 79400880) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
PubChem CID79400880
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-13(6-9(15)16)10(17)11-5-4-8(14)12-7-2-3-7/h7H,2-6H2,1H3,(H,11,17)(H,12,14)(H,15,16)
InChIKeyNDPJRCCCBOWLOY-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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 ≤ 103

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Related Compounds

2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
CID 79380827
N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
CID 113230182
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431044
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid (CID 79400880) is 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid?
The InChIKey is NDPJRCCCBOWLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-13(6-9(15)16)10(17)11-5-4-8(14)12-7-2-3-7/h7H,2-6H2,1H3,(H,11,17)(H,12,14)(H,15,16).
What are the key properties of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid?
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 79400880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).