(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid

C11H19N3O4 — CID 79401646

IUPAC(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-2-8(10(16)17)14-11(18)12-6-5-9(15)13-7-3-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18)/t8-/m1/s1
InChIKeyKEPMLAMUAWIVFS-MRVPVSSYSA-N
MW257.29 g/mol
LogP-0.18
Rot. Bonds7

About (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid

(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid (PubChem CID 79401646) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
PubChem CID79401646
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-2-8(10(16)17)14-11(18)12-6-5-9(15)13-7-3-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18)/t8-/m1/s1
InChIKeyKEPMLAMUAWIVFS-MRVPVSSYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 113363370
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
CID 79400967
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
CID 86969950
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The IUPAC name of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid (CID 79401646) is (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid is CC[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The InChIKey is KEPMLAMUAWIVFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-8(10(16)17)14-11(18)12-6-5-9(15)13-7-3-4-7/h7-8H,2-6H2,1H3,(H,13,15)(H,16,17)(H2,12,14,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 79401646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).