(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile

C10H18N4O — CID 11229576

IUPAC(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile
SMILESN#C[C@@H]1CCCCN1C(=O)[C@@H](N)CCN
InChIInChI=1S/C10H18N4O/c11-5-4-9(13)10(15)14-6-2-1-3-8(14)7-12/h8-9H,1-6,11,13H2/t8-,9-/m0/s1
InChIKeyQDTZVUPUBDCGCD-IUCAKERBSA-N
MW210.28 g/mol
LogP-0.43
Rot. Bonds3

About (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile

(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile (PubChem CID 11229576) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile
PubChem CID11229576
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile
SMILESN#C[C@@H]1CCCCN1C(=O)[C@@H](N)CCN
InChIInChI=1S/C10H18N4O/c11-5-4-9(13)10(15)14-6-2-1-3-8(14)7-12/h8-9H,1-6,11,13H2/t8-,9-/m0/s1
InChIKeyQDTZVUPUBDCGCD-IUCAKERBSA-N
XLogP-0.43
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile (CID 11229576) is (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile is N#C[C@@H]1CCCCN1C(=O)[C@@H](N)CCN.
What is the InChIKey of (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile?
The InChIKey is QDTZVUPUBDCGCD-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N4O/c11-5-4-9(13)10(15)14-6-2-1-3-8(14)7-12/h8-9H,1-6,11,13H2/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile?
(2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2,4-diaminobutanoyl]piperidine-2-carbonitrile is sourced from PubChem (CID 11229576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).