(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

C15H31N5O — CID 159041194

IUPAC(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESC=C(N)NCCC[C@H](N)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N5O/c1-11(2)20-9-6-13(7-10-20)19-15(21)14(17)5-4-8-18-12(3)16/h11,13-14,18H,3-10,16-17H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeySPBPEXCZAZTDPS-AWEZNQCLSA-N
MW297.45 g/mol
LogP0.10
Rot. Bonds8

About (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (PubChem CID 159041194) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
PubChem CID159041194
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC Name(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESC=C(N)NCCC[C@H](N)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N5O/c1-11(2)20-9-6-13(7-10-20)19-15(21)14(17)5-4-8-18-12(3)16/h11,13-14,18H,3-10,16-17H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeySPBPEXCZAZTDPS-AWEZNQCLSA-N
XLogP0.10
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (CID 159041194) is (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is C=C(N)NCCC[C@H](N)C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is SPBPEXCZAZTDPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H31N5O/c1-11(2)20-9-6-13(7-10-20)19-15(21)14(17)5-4-8-18-12(3)16/h11,13-14,18H,3-10,16-17H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 297.45 g/mol, XLogP of 0.10, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 159041194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).