5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid

C16H21NO6 — CID 143664209

IUPAC5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid
SMILESCC(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO6/c1-11(2)23-16(21)17-13(15(19)20)8-9-14(18)22-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQMZPDCDUXZREFA-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.10
Rot. Bonds8

About 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid

5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid (PubChem CID 143664209) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid
PubChem CID143664209
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid
SMILESCC(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO6/c1-11(2)23-16(21)17-13(15(19)20)8-9-14(18)22-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQMZPDCDUXZREFA-UHFFFAOYSA-N
XLogP2.10
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 174272208
(2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-prop-2-enoxypentanoic acid
CID 102479995
8-oxo-2-(phenylmethoxycarbonylamino)-8-propan-2-yloxyoctanoic acid
CID 102124375
5-butoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 71289865
2-[4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]oxyethyl-trimethylazanium
CID 13474837
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 131739350
(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 11036964
(2S)-7-methoxy-5,7-dioxo-2-(phenylmethoxycarbonylamino)heptanoic acid
CID 67830750
6-ethoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 102124237
(2S)-2-[[(2S)-5-oxo-5-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 44890669
dibenzyl (2S)-2-(phenoxycarbonylamino)pentanedioate
CID 14420383
2-(2-bromopropanoylamino)-6-oxo-6-phenylmethoxyhexanoic acid
CID 141279539

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid (CID 143664209) is 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid is CC(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The InChIKey is QMZPDCDUXZREFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-11(2)23-16(21)17-13(15(19)20)8-9-14(18)22-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid?
5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid has a molecular weight of 323.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid is sourced from PubChem (CID 143664209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).