4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid

C18H26N4O3 — CID 143877681

IUPAC4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
SMILESN#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24)
InChIKeyRQDZVSTUQQTYCY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.57
Rot. Bonds8

About 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid

4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid (PubChem CID 143877681) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
PubChem CID143877681
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid
SMILESN#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24)
InChIKeyRQDZVSTUQQTYCY-UHFFFAOYSA-N
XLogP1.57
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-amino-4-oxobutyl]pyrrole-2-carbonitrile
CID 66900244
1-[3-amino-4-oxo-4-(4-phenylpiperazin-1-yl)butyl]pyrrole-2-carbonitrile;dihydrochloride
CID 66897535
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 58509115
3-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87197391
(2S)-2-amino-1-(4-ethylpiperidin-1-yl)-5-piperidin-4-ylpentan-1-one;chloromethylbenzene
CID 159824883
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
1-[3-(1H-indazol-4-ylsulfanylamino)-4-(4-methylpiperidin-1-yl)-4-oxobutyl]pyrrole-2-carbonitrile
CID 143877386
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
5-(2-cyanopyrrol-1-yl)pentanehydrazide
CID 114655501
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]naphthalene-1-sulfonamide
CID 58509360
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid (CID 143877681) is 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid is N#Cc1cccn1CCC(N)C(=O)N1CCC(CCCC(=O)O)CC1.
What is the InChIKey of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
The InChIKey is RQDZVSTUQQTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-13-15-4-2-9-21(15)12-8-16(20)18(25)22-10-6-14(7-11-22)3-1-5-17(23)24/h2,4,9,14,16H,1,3,5-8,10-12,20H2,(H,23,24).
What are the key properties of 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid?
4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-amino-4-(2-cyanopyrrol-1-yl)butanoyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 143877681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).