(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C13H23N3O5 — CID 107830657

IUPAC(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CC1CCCO1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t9?,10-/m1/s1
InChIKeyFHXFGPWXYUXIBS-QVDQXJPCSA-N
MW301.34 g/mol
LogP-0.08
Rot. Bonds8

About (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107830657) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107830657
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CC1CCCO1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t9?,10-/m1/s1
InChIKeyFHXFGPWXYUXIBS-QVDQXJPCSA-N
XLogP-0.08
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 107830657) is (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CCN(CC1CCCO1)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is FHXFGPWXYUXIBS-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-2-16(8-9-4-3-7-21-9)13(20)15-10(12(18)19)5-6-11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t9?,10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).