5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid

C14H20N2O7 — CID 70083722

IUPAC5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O
InChIInChI=1S/C14H20N2O7/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20)
InChIKeyLXFCWQPNRZBSDH-UHFFFAOYSA-N
MW328.32 g/mol
LogP-1.02
Rot. Bonds8

About 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid

5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid (PubChem CID 70083722) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid
PubChem CID70083722
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O
InChIInChI=1S/C14H20N2O7/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20)
InChIKeyLXFCWQPNRZBSDH-UHFFFAOYSA-N
XLogP-1.02
TPSA152.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene
CID 70083721
5-acetyloxy-3-(methoxycarbonylamino)-4-oxopentanoic acid
CID 70084468
3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
CID 70085689
5-acetyloxy-3-[(2-methyl-3-methylsulfonylpropanoyl)amino]-4-oxopentanoic acid
CID 67577563
3-[(2-acetamido-3-hydroxybutanoyl)amino]-5-acetyloxy-4-oxopentanoic acid
CID 70087002
5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
CID 67578272
5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70083852
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxypropanoic acid
CID 81078985
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid?
The IUPAC name of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid (CID 70083722) is 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid is CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O.
What is the InChIKey of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid?
The InChIKey is LXFCWQPNRZBSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20).
What are the key properties of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid?
5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid has a molecular weight of 328.32 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 70083722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).