(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide

C12H23N5O3 — CID 141356276

IUPAC(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCON=C1CCNCC1NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C12H23N5O3/c1-7(13)11(18)15-8(2)12(19)16-10-6-14-5-4-9(10)17-20-3/h7-8,10,14H,4-6,13H2,1-3H3,(H,15,18)(H,16,19)/t7-,8-,10?/m0/s1
InChIKeySXBJDCFCZWYEGE-JIBHNJPVSA-N
MW285.35 g/mol
LogP-1.68
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide (PubChem CID 141356276) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide
PubChem CID141356276
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCON=C1CCNCC1NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C12H23N5O3/c1-7(13)11(18)15-8(2)12(19)16-10-6-14-5-4-9(10)17-20-3/h7-8,10,14H,4-6,13H2,1-3H3,(H,15,18)(H,16,19)/t7-,8-,10?/m0/s1
InChIKeySXBJDCFCZWYEGE-JIBHNJPVSA-N
XLogP-1.68
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide (CID 141356276) is (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide is CON=C1CCNCC1NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is SXBJDCFCZWYEGE-JIBHNJPVSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-7(13)11(18)15-8(2)12(19)16-10-6-14-5-4-9(10)17-20-3/h7-8,10,14H,4-6,13H2,1-3H3,(H,15,18)(H,16,19)/t7-,8-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 285.35 g/mol, XLogP of -1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 141356276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).