3-ethyl-2-(propan-2-ylamino)pentanoic acid

C10H21NO2 — CID 61317910

IUPAC3-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CC)C(NC(C)C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(6-2)9(10(12)13)11-7(3)4/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUGJFEEZDHWGJQC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.87
Rot. Bonds6

About 3-ethyl-2-(propan-2-ylamino)pentanoic acid

3-ethyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 61317910) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-ethyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID61317910
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CC)C(NC(C)C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(6-2)9(10(12)13)11-7(3)4/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUGJFEEZDHWGJQC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
3-ethyl-2-(pentanoylamino)pentanoic acid
CID 115730836
diethyl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067349
(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 58177865
4-(propan-2-ylamino)-5-sulfanylhexan-3-one
CID 142349976
2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 59335291
(2S)-2-(3-ethylpentan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 63844080
2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid
CID 61318115
CID 88513173
CID 88513173
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 3-ethyl-2-(propan-2-ylamino)pentanoic acid (CID 61317910) is 3-ethyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 3-ethyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 3-ethyl-2-(propan-2-ylamino)pentanoic acid is CCC(CC)C(NC(C)C)C(=O)O.
What is the InChIKey of 3-ethyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is UGJFEEZDHWGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(6-2)9(10(12)13)11-7(3)4/h7-9,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-ethyl-2-(propan-2-ylamino)pentanoic acid?
3-ethyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 61317910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).