4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid

C18H26N2O3 — CID 122008277

IUPAC4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
SMILESCC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCC(=O)O)CCC2
InChIInChI=1S/C18H26N2O3/c1-12(2)14-9-8-13-5-3-6-16(15(13)11-14)20-18(23)19-10-4-7-17(21)22/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23)/t16-/m1/s1
InChIKeyBORQWKBYTWAONZ-MRXNPFEDSA-N
MW318.42 g/mol
LogP3.35
Rot. Bonds6

About 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid

4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid (PubChem CID 122008277) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
PubChem CID122008277
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
SMILESCC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCC(=O)O)CCC2
InChIInChI=1S/C18H26N2O3/c1-12(2)14-9-8-13-5-3-6-16(15(13)11-14)20-18(23)19-10-4-7-17(21)22/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23)/t16-/m1/s1
InChIKeyBORQWKBYTWAONZ-MRXNPFEDSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937
2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84632412
2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 167915265
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid (CID 122008277) is 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid is CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCC(=O)O)CCC2.
What is the InChIKey of 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid?
The InChIKey is BORQWKBYTWAONZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)14-9-8-13-5-3-6-16(15(13)11-14)20-18(23)19-10-4-7-17(21)22/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23)/t16-/m1/s1.
What are the key properties of 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid?
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122008277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).