N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide

C14H27N3O2 — CID 79394060

IUPACN-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
SMILESO=C(CCCNCC(O)CN1CCCC1)NC1CC1
InChIInChI=1S/C14H27N3O2/c18-13(11-17-8-1-2-9-17)10-15-7-3-4-14(19)16-12-5-6-12/h12-13,15,18H,1-11H2,(H,16,19)
InChIKeyHVBXNUHYUWRLGY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.09
Rot. Bonds9

About N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide

N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide (PubChem CID 79394060) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
PubChem CID79394060
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
SMILESO=C(CCCNCC(O)CN1CCCC1)NC1CC1
InChIInChI=1S/C14H27N3O2/c18-13(11-17-8-1-2-9-17)10-15-7-3-4-14(19)16-12-5-6-12/h12-13,15,18H,1-11H2,(H,16,19)
InChIKeyHVBXNUHYUWRLGY-UHFFFAOYSA-N
XLogP0.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
CID 103256446
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
CID 79394046
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide (CID 79394060) is N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide is O=C(CCCNCC(O)CN1CCCC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The InChIKey is HVBXNUHYUWRLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-13(11-17-8-1-2-9-17)10-15-7-3-4-14(19)16-12-5-6-12/h12-13,15,18H,1-11H2,(H,16,19).
What are the key properties of N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide?
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide is sourced from PubChem (CID 79394060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).