(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide

C15H23N3O3 — CID 61178634

IUPAC(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-10(2)14(17)15(20)18-11-6-4-5-7-12(11)21-9-8-13(16)19/h4-7,10,14H,3,8-9,17H2,1-2H3,(H2,16,19)(H,18,20)/t10-,14-/m0/s1
InChIKeyRWXMPQRABXHCNB-HZMBPMFUSA-N
MW293.37 g/mol
LogP1.25
Rot. Bonds8

About (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide (PubChem CID 61178634) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
PubChem CID61178634
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-10(2)14(17)15(20)18-11-6-4-5-7-12(11)21-9-8-13(16)19/h4-7,10,14H,3,8-9,17H2,1-2H3,(H2,16,19)(H,18,20)/t10-,14-/m0/s1
InChIKeyRWXMPQRABXHCNB-HZMBPMFUSA-N
XLogP1.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide (CID 61178634) is (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide?
The InChIKey is RWXMPQRABXHCNB-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-10(2)14(17)15(20)18-11-6-4-5-7-12(11)21-9-8-13(16)19/h4-7,10,14H,3,8-9,17H2,1-2H3,(H2,16,19)(H,18,20)/t10-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide is sourced from PubChem (CID 61178634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).