2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid

C11H21NO4 — CID 82328693

IUPAC2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N(CC)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-8(3)10(11(15)16)12(5-2)7-6-9(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPWJFRWBVJPESQT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds8

About 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid

2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid (PubChem CID 82328693) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
PubChem CID82328693
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N(CC)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-8(3)10(11(15)16)12(5-2)7-6-9(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPWJFRWBVJPESQT-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
CID 143677823
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252
3-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010078
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618
(2S,3S)-2-[(3-amino-3-oxopropanoyl)-methylamino]-3-methylpentanoic acid
CID 154682418
2,2-bis[1-(diethylamino)ethyl]hexanedioic acid
CID 70544172

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid (CID 82328693) is 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid is CCC(C)C(C(=O)O)N(CC)CCC(=O)O.
What is the InChIKey of 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid?
The InChIKey is PWJFRWBVJPESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-8(3)10(11(15)16)12(5-2)7-6-9(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid?
2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 82328693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).