(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid

C10H18N2O4 — CID 107841041

IUPAC(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
SMILESCC1CC(NC(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-4-7(5-6)12-10(16)11-3-2-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyYRVRXXYYFSUMFE-RRQHEKLDSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds5

About (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid (PubChem CID 107841041) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
PubChem CID107841041
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
SMILESCC1CC(NC(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6-4-7(5-6)12-10(16)11-3-2-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1
InChIKeyYRVRXXYYFSUMFE-RRQHEKLDSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840239
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
(2S)-2-hydroxy-4-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 114007496
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid (CID 107841041) is (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid is CC1CC(NC(=O)NCC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid?
The InChIKey is YRVRXXYYFSUMFE-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-4-7(5-6)12-10(16)11-3-2-8(13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107841041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).