(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid

C11H21N3O3 — CID 145165738

IUPAC(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid
SMILESC=C(CNC(=O)CN)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(11(16)17)14-8(3)6-13-10(15)5-12/h7,9,14H,3-6,12H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyOSQWENPFEYMSMY-SECBINFHSA-N
MW243.31 g/mol
LogP-0.34
Rot. Bonds8

About (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid

(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid (PubChem CID 145165738) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid
PubChem CID145165738
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid
SMILESC=C(CNC(=O)CN)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(11(16)17)14-8(3)6-13-10(15)5-12/h7,9,14H,3-6,12H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyOSQWENPFEYMSMY-SECBINFHSA-N
XLogP-0.34
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid (CID 145165738) is (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid is C=C(CNC(=O)CN)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid?
The InChIKey is OSQWENPFEYMSMY-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)4-9(11(16)17)14-8(3)6-13-10(15)5-12/h7,9,14H,3-6,12H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid?
(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid is sourced from PubChem (CID 145165738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).