(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid

C15H24N2O4 — CID 67068667

IUPAC(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid
SMILESCC[C@@H](C)[C@@H](N)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-4(2)5(7)6(8)9/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m11/s1
InChIKeyNTOKKQYUXMUQQD-ZCVKWKNNSA-N
MW296.37 g/mol
LogP1.09
Rot. Bonds6

About (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid

(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid (PubChem CID 67068667) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid
PubChem CID67068667
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid
SMILESCC[C@@H](C)[C@@H](N)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-4(2)5(7)6(8)9/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m11/s1
InChIKeyNTOKKQYUXMUQQD-ZCVKWKNNSA-N
XLogP1.09
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 68665630
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
CID 67068661
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid (CID 67068667) is (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid is CC[C@@H](C)[C@@H](N)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid?
The InChIKey is NTOKKQYUXMUQQD-ZCVKWKNNSA-N. The full InChI is InChI=1S/C9H11NO2.C6H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-4(2)5(7)6(8)9/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9)/t8-;4-,5-/m11/s1.
What are the key properties of (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid?
(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 67068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).