[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid

C10H18N2O4 — CID 91554374

IUPAC[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
SMILESCNC(=O)C(O)C(CC1CCC1)NC(=O)O
InChIInChI=1S/C10H18N2O4/c1-11-9(14)8(13)7(12-10(15)16)5-6-3-2-4-6/h6-8,12-13H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyOKMFJVFADJPDBM-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds5

About [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid

[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid (PubChem CID 91554374) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
PubChem CID91554374
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
SMILESCNC(=O)C(O)C(CC1CCC1)NC(=O)O
InChIInChI=1S/C10H18N2O4/c1-11-9(14)8(13)7(12-10(15)16)5-6-3-2-4-6/h6-8,12-13H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyOKMFJVFADJPDBM-UHFFFAOYSA-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

Valinoctin A
CID 10468589
Valinoctin B
CID 11778868
(S)-2-((R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 9922371
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 44381916
Bestatin Impurity 3
CID 54394267
2-(3,7-Diamino-2-hydroxy-heptanoylamino)-4-methyl-pentanoic acid methyl ester
CID 15138893
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-3-methyl-butyric acid methyl ester
CID 44381662
(R)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 44381901
(S)-2-((2S,3R)-3-amino-2-hydroxyheptanamido)-4-methylpentanoic acid
CID 51356564
tert-Butyl (4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
CID 11514590
(2S,3R)-3-Amino-4-cyclohexyl-N-decyl-2-hydroxy-butyramide
CID 44381637
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-4-methyl-pentanoic acid methyl ester
CID 44381644

Frequently Asked Questions

What is the IUPAC name of [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid (CID 91554374) is [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid is CNC(=O)C(O)C(CC1CCC1)NC(=O)O.
What is the InChIKey of [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid?
The InChIKey is OKMFJVFADJPDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-9(14)8(13)7(12-10(15)16)5-6-3-2-4-6/h6-8,12-13H,2-5H2,1H3,(H,11,14)(H,15,16).
What are the key properties of [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid?
[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic 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 [1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 91554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).