2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid

C10H21NO2 — CID 61469518

IUPAC2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NCC(C)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(7(2)3)11-6-8(4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyANHXUCHQXVUYEO-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.73
Rot. Bonds6

About 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid

2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid (PubChem CID 61469518) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
PubChem CID61469518
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NCC(C)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(7(2)3)11-6-8(4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyANHXUCHQXVUYEO-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
CID 43538632
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
2-methyl-3-(pent-1-yn-3-ylamino)propanoic acid
CID 106228890
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
CID 154691714
methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid (CID 61469518) is 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid is CCC(NCC(C)C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The InChIKey is ANHXUCHQXVUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(7(2)3)11-6-8(4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid is sourced from PubChem (CID 61469518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).