2-(methylamino)-5-(propan-2-ylamino)pentanoic acid

C9H20N2O2 — CID 168758875

IUPAC2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
SMILESCNC(CCCNC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)11-6-4-5-8(10-3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyBBNIHMDUQMMFKZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.44
Rot. Bonds7

About 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid

2-(methylamino)-5-(propan-2-ylamino)pentanoic acid (PubChem CID 168758875) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
PubChem CID168758875
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
SMILESCNC(CCCNC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)11-6-4-5-8(10-3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyBBNIHMDUQMMFKZ-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-6-[[(2S)-2-hydroxypropanoyl]amino]-2-(methylamino)hexanoic acid
CID 169025304
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2R)-2-[[(1S)-1-carboxy-5-(propan-2-ylamino)pentyl]carbamoylamino]pentanedioic acid
CID 130425498
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
(2S)-2-(3,3-dimethylbutanoylamino)-6-(propan-2-ylamino)hexanoic acid
CID 134175354
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid (CID 168758875) is 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid is CNC(CCCNC(C)C)C(=O)O.
What is the InChIKey of 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid?
The InChIKey is BBNIHMDUQMMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)11-6-4-5-8(10-3)9(12)13/h7-8,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid?
2-(methylamino)-5-(propan-2-ylamino)pentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 168758875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).