4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid

C11H17NO4 — CID 115923971

IUPAC4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1=COCCC1
InChIInChI=1S/C11H17NO4/c1-8(4-5-10(13)14)12-11(15)9-3-2-6-16-7-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeySORDDZMOQGRGKA-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.05
Rot. Bonds5

About 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid

4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid (PubChem CID 115923971) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
PubChem CID115923971
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1=COCCC1
InChIInChI=1S/C11H17NO4/c1-8(4-5-10(13)14)12-11(15)9-3-2-6-16-7-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeySORDDZMOQGRGKA-UHFFFAOYSA-N
XLogP1.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211367
(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid
CID 103791046
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
CID 82854747
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
CID 116562949
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534770
1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566550
4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid
CID 120535030
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid (CID 115923971) is 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid is CC(CCC(=O)O)NC(=O)C1=COCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid?
The InChIKey is SORDDZMOQGRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(4-5-10(13)14)12-11(15)9-3-2-6-16-7-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid?
4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid is sourced from PubChem (CID 115923971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).