(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

C16H29N3O2 — CID 82964218

IUPAC(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3O2/c1-10(2)15(17)16(21)18-8-14(20)19(3)9-13-7-11-4-5-12(13)6-11/h10-13,15H,4-9,17H2,1-3H3,(H,18,21)/t11?,12?,13?,15-/m0/s1
InChIKeyACTPIVBOLUIKRR-WOFVOEOOSA-N
MW295.43 g/mol
LogP0.98
Rot. Bonds6

About (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82964218) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82964218
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3O2/c1-10(2)15(17)16(21)18-8-14(20)19(3)9-13-7-11-4-5-12(13)6-11/h10-13,15H,4-9,17H2,1-3H3,(H,18,21)/t11?,12?,13?,15-/m0/s1
InChIKeyACTPIVBOLUIKRR-WOFVOEOOSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
CID 103155894
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82964218) is (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is ACTPIVBOLUIKRR-WOFVOEOOSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10(2)15(17)16(21)18-8-14(20)19(3)9-13-7-11-4-5-12(13)6-11/h10-13,15H,4-9,17H2,1-3H3,(H,18,21)/t11?,12?,13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 295.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82964218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).