(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid

C10H17N3O5 — CID 104965896

IUPAC(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-5(14)8(9(16)17)13-10(18)11-4-7(15)12-6-2-3-6/h5-6,8,14H,2-4H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18)/t5-,8+/m1/s1
InChIKeyNQHWOEYVLOYVMA-XRGYYRRGSA-N
MW259.26 g/mol
LogP-1.60
Rot. Bonds6

About (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 104965896) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
PubChem CID104965896
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-5(14)8(9(16)17)13-10(18)11-4-7(15)12-6-2-3-6/h5-6,8,14H,2-4H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18)/t5-,8+/m1/s1
InChIKeyNQHWOEYVLOYVMA-XRGYYRRGSA-N
XLogP-1.60
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid with MolForge

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Related Compounds

2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61468066
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
CID 65290228
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
2-[[4-(cyclopropylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82042242
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
(2S,3R)-2-(2,2-difluoroethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966469

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid (CID 104965896) is (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is NQHWOEYVLOYVMA-XRGYYRRGSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-5(14)8(9(16)17)13-10(18)11-4-7(15)12-6-2-3-6/h5-6,8,14H,2-4H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18)/t5-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104965896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).