4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 40742950

IUPAC4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(7-5-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11?,12-/m0/s1
InChIKeySYTRWMASNGJAMM-XKGSQUFQSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds6

About 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 40742950) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID40742950
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(7-5-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11?,12-/m0/s1
InChIKeySYTRWMASNGJAMM-XKGSQUFQSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexanecarboxylic acid
CID 667021
4-(3-Amino-2-oxoazetidinonyl-1)methylcyclohexanecarboxylic acid
CID 126247
2-[1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexyl]acetic acid
CID 61660424
2-[1-[[[(2S)-2-aminopropanoyl]amino]methyl]cyclohexyl]acetic acid
CID 76285449
N-Cyclohexanoylleucine
CID 129440
(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
(Cyclohexanecarbonyl)-L-leucine
CID 9992929
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 40742950) is 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC[C@H](C)[C@H](N)C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SYTRWMASNGJAMM-XKGSQUFQSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(7-5-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11?,12-/m0/s1.
What are the key properties of 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 40742950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).