(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide

C10H22N4O2 — CID 83110298

IUPAC(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O2/c1-7(2)8(11)9(15)12-5-6-13-10(16)14(3)4/h7-8H,5-6,11H2,1-4H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyPDKUVQKCAFLONU-QMMMGPOBSA-N
MW230.31 g/mol
LogP-0.64
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide (PubChem CID 83110298) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
PubChem CID83110298
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O2/c1-7(2)8(11)9(15)12-5-6-13-10(16)14(3)4/h7-8H,5-6,11H2,1-4H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyPDKUVQKCAFLONU-QMMMGPOBSA-N
XLogP-0.64
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.64
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

N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
3-[2-(dimethylcarbamoylamino)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114898904
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methyl-3-sulfanylidenepropanamide
CID 83120557
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide (CID 83110298) is (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide?
The InChIKey is PDKUVQKCAFLONU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-7(2)8(11)9(15)12-5-6-13-10(16)14(3)4/h7-8H,5-6,11H2,1-4H3,(H,12,15)(H,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 83110298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).