(4R)-4-(propan-2-ylamino)hexanoic acid

C9H19NO2 — CID 147977969

IUPAC(4R)-4-(propan-2-ylamino)hexanoic acid
SMILESCC[C@H](CCC(=O)O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-4-8(10-7(2)3)5-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyISQVXNLNAHMQTJ-MRVPVSSYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds6

About (4R)-4-(propan-2-ylamino)hexanoic acid

(4R)-4-(propan-2-ylamino)hexanoic acid (PubChem CID 147977969) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (4R)-4-(propan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name(4R)-4-(propan-2-ylamino)hexanoic acid
PubChem CID147977969
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(4R)-4-(propan-2-ylamino)hexanoic acid
SMILESCC[C@H](CCC(=O)O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-4-8(10-7(2)3)5-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyISQVXNLNAHMQTJ-MRVPVSSYSA-N
XLogP1.63
TPSA49.33 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
5-(propan-2-ylamino)hexanoic acid
CID 82848277
6-methyl-4-(methylamino)heptanoic acid
CID 112517667
(4S)-4-[(4-methoxy-4-oxobutyl)amino]hexanoic acid
CID 87856835
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
CID 87751829
(4S)-4-hydroxyhexanoic acid
CID 14057564
16-methylheptadecanoic acid;N-propan-2-ylpropan-2-amine
CID 175713444
2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
CID 13231155
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(propan-2-ylamino)hexanoic acid?
The IUPAC name of (4R)-4-(propan-2-ylamino)hexanoic acid (CID 147977969) is (4R)-4-(propan-2-ylamino)hexanoic acid.
What is the SMILES notation for (4R)-4-(propan-2-ylamino)hexanoic acid?
The canonical SMILES for (4R)-4-(propan-2-ylamino)hexanoic acid is CC[C@H](CCC(=O)O)NC(C)C.
What is the InChIKey of (4R)-4-(propan-2-ylamino)hexanoic acid?
The InChIKey is ISQVXNLNAHMQTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(10-7(2)3)5-6-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (4R)-4-(propan-2-ylamino)hexanoic acid?
(4R)-4-(propan-2-ylamino)hexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(propan-2-ylamino)hexanoic acid is sourced from PubChem (CID 147977969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).