2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid

C16H32N2O3 — CID 175230910

IUPAC2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid
SMILESCCCCNC(=O)CCCCCCCCCNCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-2-3-13-18-15(19)11-9-7-5-4-6-8-10-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyRGTZWLMFHSSCRW-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.70
Rot. Bonds15

About 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid

2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid (PubChem CID 175230910) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid
PubChem CID175230910
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid
SMILESCCCCNC(=O)CCCCCCCCCNCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-2-3-13-18-15(19)11-9-7-5-4-6-8-10-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyRGTZWLMFHSSCRW-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.70
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

2-[[15-(butylamino)-15-oxopentadecyl]amino]acetic acid
CID 175446512
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
11-(dodecanoylamino)undecanoic acid
CID 4163254
6-(butylamino)-6-oxohexanoic acid
CID 43529485
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
4-(tridecanoylamino)butanoic acid
CID 164851630
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid?
The IUPAC name of 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid (CID 175230910) is 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid.
What is the SMILES notation for 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid?
The canonical SMILES for 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid is CCCCNC(=O)CCCCCCCCCNCC(=O)O.
What is the InChIKey of 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid?
The InChIKey is RGTZWLMFHSSCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-2-3-13-18-15(19)11-9-7-5-4-6-8-10-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid?
2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid has a molecular weight of 300.44 g/mol, XLogP of 2.70, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid is sourced from PubChem (CID 175230910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).