(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid

C9H19NO2 — CID 142755438

IUPAC(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
SMILESCC[C@@H](C)CC[C@H](CN)C(=O)O
InChIInChI=1S/C9H19NO2/c1-3-7(2)4-5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyDAFBQTCNNDVNDS-HTQZYQBOSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds6

About (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid

(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid (PubChem CID 142755438) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid.

Molecular Properties

Compound Name(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
PubChem CID142755438
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
SMILESCC[C@@H](C)CC[C@H](CN)C(=O)O
InChIInChI=1S/C9H19NO2/c1-3-7(2)4-5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyDAFBQTCNNDVNDS-HTQZYQBOSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid?
The IUPAC name of (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid (CID 142755438) is (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid.
What is the SMILES notation for (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid?
The canonical SMILES for (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid is CC[C@@H](C)CC[C@H](CN)C(=O)O.
What is the InChIKey of (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid?
The InChIKey is DAFBQTCNNDVNDS-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-7(2)4-5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid?
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(aminomethyl)-5-methylheptanoic acid is sourced from PubChem (CID 142755438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).