2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid

C12H21N3O4 — CID 61442848

IUPAC2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N3O4/c16-8-3-10(11(17)18)13-12(19)15-6-4-14(5-7-15)9-1-2-9/h9-10,16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyPXSWIEPTPFYTIM-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.69
Rot. Bonds5

About 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid

2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 61442848) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID61442848
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N3O4/c16-8-3-10(11(17)18)13-12(19)15-6-4-14(5-7-15)9-1-2-9/h9-10,16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyPXSWIEPTPFYTIM-UHFFFAOYSA-N
XLogP-0.69
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-4-hydroxybutanoic acid
CID 63154911
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107827805
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid (CID 61442848) is 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is PXSWIEPTPFYTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c16-8-3-10(11(17)18)13-12(19)15-6-4-14(5-7-15)9-1-2-9/h9-10,16H,1-8H2,(H,13,19)(H,17,18).
What are the key properties of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61442848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).