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

C9H16N2O4 — CID 104861581

IUPAC(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
SMILESCC1CC(NC(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-5-2-6(3-5)10-9(15)11-7(4-12)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H2,10,11,15)/t5?,6?,7-/m0/s1
InChIKeyKFDVZGHZHXADMG-AHXFUIDQSA-N
MW216.24 g/mol
LogP-0.47
Rot. Bonds4

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

(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid (PubChem CID 104861581) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
PubChem CID104861581
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
SMILESCC1CC(NC(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-5-2-6(3-5)10-9(15)11-7(4-12)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H2,10,11,15)/t5?,6?,7-/m0/s1
InChIKeyKFDVZGHZHXADMG-AHXFUIDQSA-N
XLogP-0.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861573
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
2-[(1,1-dioxothian-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 61201461
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid (CID 104861581) is (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid is CC1CC(NC(=O)N[C@@H](CO)C(=O)O)C1.
What is the InChIKey of (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid?
The InChIKey is KFDVZGHZHXADMG-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5-2-6(3-5)10-9(15)11-7(4-12)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H2,10,11,15)/t5?,6?,7-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid?
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 104861581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).