(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C14H24N2O5 — CID 107143266

IUPAC(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-16(10-6-4-3-5-7-10)14(20)15-11(13(18)19)8-9-12(17)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyRACASRROBUNFSN-NSHDSACASA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds6

About (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107143266) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107143266
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-16(10-6-4-3-5-7-10)14(20)15-11(13(18)19)8-9-12(17)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyRACASRROBUNFSN-NSHDSACASA-N
XLogP1.37
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107826352
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 62479901
(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828637
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107143266) is (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)N(C)C1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is RACASRROBUNFSN-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O5/c1-16(10-6-4-3-5-7-10)14(20)15-11(13(18)19)8-9-12(17)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107143266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).