(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C14H20N2O5 — CID 107828602

IUPAC(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESC#CCN(CC1CC1)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-3-8-16(9-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-2/h1,10-11H,4-9H2,2H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyHRJZPVNPANFSQG-LLVKDONJSA-N
MW296.32 g/mol
LogP0.45
Rot. Bonds8

About (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107828602) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107828602
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESC#CCN(CC1CC1)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-3-8-16(9-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-2/h1,10-11H,4-9H2,2H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyHRJZPVNPANFSQG-LLVKDONJSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827078
methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
CID 115549687
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
(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
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827131
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829573

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107828602) is (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is C#CCN(CC1CC1)C(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is HRJZPVNPANFSQG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-8-16(9-10-4-5-10)14(20)15-11(13(18)19)6-7-12(17)21-2/h1,10-11H,4-9H2,2H3,(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107828602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).