(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C14H24N2O5 — CID 107827078

IUPAC(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-9(2)16(8-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-3/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyWUOJZDPBJVUCKT-LLVKDONJSA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds8

About (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107827078) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107827078
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-9(2)16(8-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-3/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyWUOJZDPBJVUCKT-LLVKDONJSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830747
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828602
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670304
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828637
(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107826352
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107827078) is (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)N(CC1CC1)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is WUOJZDPBJVUCKT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9(2)16(8-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-3/h9-11H,4-8H2,1-3H3,(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107827078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).