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

C10H17N3O5 — CID 107838516

IUPAC(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(CNC(=O)NCC[C@H](O)C(=O)O)NC1CC1
InChIInChI=1S/C10H17N3O5/c14-7(9(16)17)3-4-11-10(18)12-5-8(15)13-6-1-2-6/h6-7,14H,1-5H2,(H,13,15)(H,16,17)(H2,11,12,18)/t7-/m0/s1
InChIKeyVSEYCBKEWNEVNE-ZETCQYMHSA-N
MW259.26 g/mol
LogP-1.60
Rot. Bonds7

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

(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107838516) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107838516
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(CNC(=O)NCC[C@H](O)C(=O)O)NC1CC1
InChIInChI=1S/C10H17N3O5/c14-7(9(16)17)3-4-11-10(18)12-5-8(15)13-6-1-2-6/h6-7,14H,1-5H2,(H,13,15)(H,16,17)(H2,11,12,18)/t7-/m0/s1
InChIKeyVSEYCBKEWNEVNE-ZETCQYMHSA-N
XLogP-1.60
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104965896
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
(2S)-4-(2-chloroprop-2-enylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841019
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid (CID 107838516) is (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid is O=C(CNC(=O)NCC[C@H](O)C(=O)O)NC1CC1.
What is the InChIKey of (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is VSEYCBKEWNEVNE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O5/c14-7(9(16)17)3-4-11-10(18)12-5-8(15)13-6-1-2-6/h6-7,14H,1-5H2,(H,13,15)(H,16,17)(H2,11,12,18)/t7-/m0/s1.
What are the key properties of (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.60, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).