(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid

C11H17NO5 — CID 107039185

IUPAC(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)C1CC1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-2-17-9(13)6-5-8(11(15)16)12-10(14)7-3-4-7/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyRNRMTTMMOOOALW-QMMMGPOBSA-N
MW243.26 g/mol
LogP0.31
Rot. Bonds7

About (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid

(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid (PubChem CID 107039185) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
PubChem CID107039185
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)C1CC1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-2-17-9(13)6-5-8(11(15)16)12-10(14)7-3-4-7/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyRNRMTTMMOOOALW-QMMMGPOBSA-N
XLogP0.31
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1,1-dioxothiolane-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039331
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107039349
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
CID 42698668
(2S)-5-ethoxy-2-[[(2E)-hexa-2,4-dienoyl]amino]-5-oxopentanoic acid
CID 107039208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid (CID 107039185) is (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid is CCOC(=O)CC[C@H](NC(=O)C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid?
The InChIKey is RNRMTTMMOOOALW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-17-9(13)6-5-8(11(15)16)12-10(14)7-3-4-7/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid?
(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 107039185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).