(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine

C17H31N3O2S — CID 87882419

IUPAC(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)s1.CCC[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO2.C6H10N2S/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9;1-4(2)5-3-8-6(7)9-5/h9-10,12H,2-8H2,1H3,(H,13,14);3-4H,1-2H3,(H2,7,8)/t10-;/m0./s1
InChIKeyJCBIWORGJDDGAA-PPHPATTJSA-N
MW341.52 g/mol
LogP4.01
Rot. Bonds6

About (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine

(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 87882419) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID87882419
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)s1.CCC[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO2.C6H10N2S/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9;1-4(2)5-3-8-6(7)9-5/h9-10,12H,2-8H2,1H3,(H,13,14);3-4H,1-2H3,(H2,7,8)/t10-;/m0./s1
InChIKeyJCBIWORGJDDGAA-PPHPATTJSA-N
XLogP4.01
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
CID 87882417
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
N-cycloheptyl-2-methylpentanamide
CID 4532030
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 11682554
2-(cyclopropylamino)heptanoic acid
CID 43754511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine (CID 87882419) is (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(N)s1.CCC[C@H](NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is JCBIWORGJDDGAA-PPHPATTJSA-N. The full InChI is InChI=1S/C11H21NO2.C6H10N2S/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9;1-4(2)5-3-8-6(7)9-5/h9-10,12H,2-8H2,1H3,(H,13,14);3-4H,1-2H3,(H2,7,8)/t10-;/m0./s1.
What are the key properties of (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 341.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87882419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).