(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid

C22H37NO5 — CID 14557708

IUPAC(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
SMILESO=C(O)CCNC(=O)[C@H](CC1CCCCC1)C[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
InChIKeyNJLBECLJORBIQZ-RTBURBONSA-N
MW395.54 g/mol
LogP4.23
Rot. Bonds11

About (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid

(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid (PubChem CID 14557708) has the molecular formula C22H37NO5 and a molecular weight of 395.54 g/mol. Its IUPAC name is (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
PubChem CID14557708
Molecular FormulaC22H37NO5
Molecular Weight395.54 g/mol
Exact Mass395.27
IUPAC Name(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
SMILESO=C(O)CCNC(=O)[C@H](CC1CCCCC1)C[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
InChIKeyNJLBECLJORBIQZ-RTBURBONSA-N
XLogP4.23
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid with MolForge

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Related Compounds

2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
Disodium;5-(2-carboxylatoethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoate
CID 14557705
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
5-(2-Carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
CID 14557706
cis,cis-1,3,5-Trimethyl-3,5-bis[(s)-1-cyclohexyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129691092
2-[3-(Cyclohexylamino)-1-methyl-3-oxopropyl]hexanoic acid
CID 3125314
4-[[(4-Pentylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 13044036
4-[[[4-(2-Methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 13044042
N-[(S,S)-2,4-di-(cyclohexylmethyl)-4-carboxybutyryl]-(L)-leucine
CID 14997129
2-Ethyl-6-methyl-4-(octylcarbamoyl)-7-oxo-7-(propan-2-ylamino)heptanoic acid
CID 18338432
(1-Cyclohexylcarbamoylmethyl-cyclohexyl)-acetic acid
CID 43235048
3-(3-Methylbutylcarbamoyl)adamantane-1-carboxylic acid
CID 56925041

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The IUPAC name of (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid (CID 14557708) is (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid.
What is the SMILES notation for (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The canonical SMILES for (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid is O=C(O)CCNC(=O)[C@H](CC1CCCCC1)C[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The InChIKey is NJLBECLJORBIQZ-RTBURBONSA-N. The full InChI is InChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1.
What are the key properties of (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid has a molecular weight of 395.54 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid is sourced from PubChem (CID 14557708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).