(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

C11H19N3O5 — CID 114007621

IUPAC(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(CCNC(=O)NCC[C@H](O)C(=O)O)NC1CC1
InChIInChI=1S/C11H19N3O5/c15-8(10(17)18)3-5-12-11(19)13-6-4-9(16)14-7-1-2-7/h7-8,15H,1-6H2,(H,14,16)(H,17,18)(H2,12,13,19)/t8-/m0/s1
InChIKeyPCTFOAGAUMWDRN-QMMMGPOBSA-N
MW273.29 g/mol
LogP-1.21
Rot. Bonds8

About (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 114007621) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
PubChem CID114007621
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(CCNC(=O)NCC[C@H](O)C(=O)O)NC1CC1
InChIInChI=1S/C11H19N3O5/c15-8(10(17)18)3-5-12-11(19)13-6-4-9(16)14-7-1-2-7/h7-8,15H,1-6H2,(H,14,16)(H,17,18)(H2,12,13,19)/t8-/m0/s1
InChIKeyPCTFOAGAUMWDRN-QMMMGPOBSA-N
XLogP-1.21
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (CID 114007621) is (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is O=C(CCNC(=O)NCC[C@H](O)C(=O)O)NC1CC1.
What is the InChIKey of (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is PCTFOAGAUMWDRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O5/c15-8(10(17)18)3-5-12-11(19)13-6-4-9(16)14-7-1-2-7/h7-8,15H,1-6H2,(H,14,16)(H,17,18)(H2,12,13,19)/t8-/m0/s1.
What are the key properties of (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.21, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).