(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid

C10H20N2O4 — CID 106112659

IUPAC(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
SMILESCOC(CN)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)4-7(10(14)15)12-9(13)8(5-11)16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1
InChIKeyYYIHTMBXCUCDDK-GVHYBUMESA-N
MW232.28 g/mol
LogP-0.42
Rot. Bonds7

About (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid

(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid (PubChem CID 106112659) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
PubChem CID106112659
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
SMILESCOC(CN)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)4-7(10(14)15)12-9(13)8(5-11)16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1
InChIKeyYYIHTMBXCUCDDK-GVHYBUMESA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
CID 106113366
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660
(2S)-2-(2-bromoethoxycarbonylamino)-4-methylpentanoic acid
CID 71395825
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid (CID 106112659) is (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid is COC(CN)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is YYIHTMBXCUCDDK-GVHYBUMESA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)4-7(10(14)15)12-9(13)8(5-11)16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 106112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).