2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid

C13H22N2O3 — CID 61370561

IUPAC2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1(C(=O)N2CCCC2CC(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)12(18)15-8-4-5-10(15)9-11(16)17/h10H,1-9,14H2,(H,16,17)
InChIKeyLDTYCVOOXRGSOM-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.11
Rot. Bonds3

About 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370561) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370561
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1(C(=O)N2CCCC2CC(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)12(18)15-8-4-5-10(15)9-11(16)17/h10H,1-9,14H2,(H,16,17)
InChIKeyLDTYCVOOXRGSOM-UHFFFAOYSA-N
XLogP1.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134594522
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CID 145304711
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CID 174503463
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CID 11242753
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CID 15159770
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CID 24948565
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CID 28791137
CID 28791137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid (CID 61370561) is 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid is NC1(C(=O)N2CCCC2CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is LDTYCVOOXRGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)12(18)15-8-4-5-10(15)9-11(16)17/h10H,1-9,14H2,(H,16,17).
What are the key properties of 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclohexanecarbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).